Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20060484 | 0.84 | LDHA (0.41) | LDHAALDH1A1SMN1; SMN2MTNR1AMTNR1B | |
| SCHEMBL20060650 | 0.84 | MTNR1A (0.42) | LDHAALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL20060472 | 0.84 | PTGER3 (0.42) | LDHAMTNR1AMTNR1BALOX15ALOX12 | |
| SCHEMBL15624586 | 0.81 | FOS (0.55) | ALDH1A1MAPTALOX15ALOX12CYP3A4 | |
| SCHEMBL20060485 | 0.81 | MTNR1A (0.40) | LDHAALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL13748638 | 0.75 | ALOX15 (0.49) | ALDH1A1LMNAMAPTMEN1KMT2A | |
| SCHEMBL6859689 | 0.73 | ALDH1A1 (0.56) | ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL20705409 | 0.72 | ACACB (0.41) | OPRM1 | |
| SCHEMBL31725989 | 0.71 | REN (0.38) | LDHAMEN1KMT2AMTNR1AMTNR1B | |
| SCHEMBL31725897 | 0.71 | REN (0.39) | LDHAALDH1A1MEN1KMT2AALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1701949-B1 | ASSAY FOR ENTACTOGENS | SIEMENS HEALTHCARE DIAGNOSTICS INC (US) | 2018-04-18 | — | — | EP | disclosed |